compound 0084839

Properties Image MNX_ID MNXM1178427 reference envipathM:...d9ebd99889c4 formula C12H11Cl3O4 global charge 0 mol weight 325.575 InChIKey RILCMDUATZCZOL-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O4/c13-7-4-5-2-1-3(11(17)19-10(2)16)12(5,18)6(7)9(15)8(4)14/h2-7,10,16,18H,1H2 SMILES O=C1OC(O)C2CC1C1(O)C3C(Cl)=C(Cl)C(C3Cl)C21 MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-7-4-5-2-1-3(11(17)19-10(2)16)12(5,18)6(7)9(15)8(4)14/h2-7,10,16,18H,1H2/t2?,3?,4?,5?,6?,7?,10?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:5]3[CH:4]4[CH:7]([Cl:13])[CH:6]([C:9]([Cl:15])=[C:8]4[Cl:14])[C:12]3([OH:18])[CH:3]1[C:11](=[O:17])[O:19][CH:10]2[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0